2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide

C11H17ClN4O3 — CID 146094475

IUPAC2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide
SMILESCn1c([C@H]2C[C@H](CNC(=O)CCl)[C@H](O)C2)n[nH]c1=O
InChIInChI=1S/C11H17ClN4O3/c1-16-10(14-15-11(16)19)6-2-7(8(17)3-6)5-13-9(18)4-12/h6-8,17H,2-5H2,1H3,(H,13,18)(H,15,19)/t6-,7+,8+/m0/s1
InChIKeyYBDOGENRXSAEJY-XLPZGREQSA-N
MW288.74 g/mol
LogP-0.68
Rot. Bonds4

About 2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide

2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide (PubChem CID 146094475) has the molecular formula C11H17ClN4O3 and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide
PubChem CID146094475
Molecular FormulaC11H17ClN4O3
Molecular Weight288.74 g/mol
Exact Mass288.10
IUPAC Name2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide
SMILESCn1c([C@H]2C[C@H](CNC(=O)CCl)[C@H](O)C2)n[nH]c1=O
InChIInChI=1S/C11H17ClN4O3/c1-16-10(14-15-11(16)19)6-2-7(8(17)3-6)5-13-9(18)4-12/h6-8,17H,2-5H2,1H3,(H,13,18)(H,15,19)/t6-,7+,8+/m0/s1
InChIKeyYBDOGENRXSAEJY-XLPZGREQSA-N
XLogP-0.68
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1S,3R,4R)-3-(Aminomethyl)-4-hydroxycyclopentyl]-4-ethyl-1H-1,2,4-triazol-5-one;hydrochloride
CID 132327988
3-[(1S,3R,4R)-3-(aminomethyl)-4-hydroxycyclopentyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 132327989
3-[(1S,3R,4R)-3-(Aminomethyl)-4-hydroxycyclopentyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 132342293
rac-3-[(1R,3S,4S)-3-(aminomethyl)-4-hydroxycyclopentyl]-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 132351219
N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide
CID 146153021
N-[[(1R,2R,4S)-4-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]-4-methylpent-2-ynamide
CID 154768155
5-[(1R,3S,4S)-3-(aminomethyl)-4-hydroxycyclopentyl]-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride
CID 162367952
3-[3-(aminomethyl)-4-hydroxycyclopentyl]-4-ethyl-1H-1,2,4-triazol-5-one;hydrochloride
CID 167994633
3-[3-(aminomethyl)-4-hydroxycyclopentyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 167994634
5-[3-(Aminomethyl)-4-hydroxycyclopentyl]-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride
CID 167994639
rac-3-[(1R,3S,4S)-3-(aminomethyl)-4-hydroxycyclopentyl]-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 167994644
rac-3-[(1R,3S,4S)-3-(aminomethyl)-4-hydroxycyclopentyl]-4-ethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 178202652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide (CID 146094475) is 2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide is Cn1c([C@H]2C[C@H](CNC(=O)CCl)[C@H](O)C2)n[nH]c1=O.
What is the InChIKey of 2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide?
The InChIKey is YBDOGENRXSAEJY-XLPZGREQSA-N. The full InChI is InChI=1S/C11H17ClN4O3/c1-16-10(14-15-11(16)19)6-2-7(8(17)3-6)5-13-9(18)4-12/h6-8,17H,2-5H2,1H3,(H,13,18)(H,15,19)/t6-,7+,8+/m0/s1.
What are the key properties of 2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide?
2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide has a molecular weight of 288.74 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(1R,2R,4S)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 146094475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).